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Repository Details
ncdist is a package of two utilities built on the Niggli-Cone cell distance discussed in [Andrews, L. C., Bernstein, H. J. (2014). "The geometry of Niggli reduction: BGAOL -- embedding Niggli reduction and analysis of boundaries". Journal of applied crystallography, 47(1), 346-359.] which provides a sensitive and reliable metric for the distance between crystallographic unit cells. A shell command line program ncdist is provided as well as a shared library rcpp_ncdist for use of ncdist from R.
